5-bromanyl-N-[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[2-(benzylcarbamoyl)phenyl]-methyl-carbamothioyl]-5-bromo-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[N-methyl-2-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[2-(benzylcarbamoyl)phenyl]-methylcarbamothioyl]-5-bromo-2-phenethyloxybenzamide Traditional Name: N-[[2-(benzylcarbamoyl)phenyl]-methyl-thiocarbamoyl]-5-bromo-2-phenethyloxy-benzamide Formula: C31H28BrN3O3S MolecularWeight: 602.54132

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C31H28BrN3O3S/c1-35(27-15-9-8-14-25(27)29(36)33-21-23-12-6-3-7-13-23)31(39)34-30(37)26-20-24(32)16-17-28(26)38-19-18-22-10-4-2-5-11-22/h2-17,20H,18-19,21H2,1H3,(H,33,36)(H,34,37,39)